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Etodroxizine

View entire compound with spectra: 1 FTIR, 6 MS (GC), and 31 MS (LC)

Etodroxizine
SpectraBase Compound ID EL8VfzCKali
InChI InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
InChIKey VUFOCTSXHUWGPW-UHFFFAOYSA-N
Mol Weight 418.97 g/mol
Molecular Formula C23H31ClN2O3
Exact Mass 418.202321 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HYkBjRRXdU
Name Etodroxyzine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.202320563 u
Formula C23H31ClN2O3
InChI InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
InChIKey VUFOCTSXHUWGPW-UHFFFAOYSA-N
Molecular Weight 418.965 g/mol
SMILES OCCOCCOCCN1CCN(C(c2ccc(cc2)Cl)c2ccccc2)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862656